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1235440-97-7 | 2-Propen-1-one, 1-(1-piperazinyl)-, hydrochloride (1:1)
CAS No: 1235440-97-7 Catalog No: AG000KS3 MDL No:MFCD15209565
Product Description
Catalog Number:
AG000KS3
Chemical Name:
2-Propen-1-one, 1-(1-piperazinyl)-, hydrochloride (1:1)
CAS Number:
1235440-97-7
Molecular Formula:
C7H13ClN2O
Molecular Weight:
176.6439
MDL Number:
MFCD15209565
IUPAC Name:
1-piperazin-1-ylprop-2-en-1-one;hydrochloride
InChI:
InChI=1S/C7H12N2O.ClH/c1-2-7(10)9-5-3-8-4-6-9;/h2,8H,1,3-6H2;1H
InChI Key:
ITTLUVJGCVKFDA-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCNCC1.Cl
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.644g/mol
Monoisotopic Mass:
176.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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